Geometry & MOs

Info

ID:	324526
PubChem CID:	126677833
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	574.204513
ΔH_f, kcal/mol:	-118.73
Dipole, Da:	4.46
IP(EA), eV:	-8.84(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-phenyl-24-(2-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

CC1=NN2CC(CN(C2=C1)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations